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Synthesis, molecular docking, ADMET, and evaluation of the anxiolytic effect in adult zebrafish of synthetic chalcone (E)-3-(4-(dimethylamino)phenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one: An in vivo and in silico approach.
Santos Oliveira L, Kueirislene Amâncio Ferreira M, Wagner de Queiroz Almeida-Neto F, Wlisses da Silva A, Ivo Lima Pinto Filho J, Nunes da Rocha M, Machado Marinho E, Henrique Ferreira Ribeiro W, Machado Marinho M, Silva Marinho E, Eire Silva Alencar de Menezes J, Dos Santos HS. Santos Oliveira L, et al. Among authors: nunes da rocha m. Fundam Clin Pharmacol. 2024 Apr;38(2):290-306. doi: 10.1111/fcp.12960. Epub 2023 Oct 16. Fundam Clin Pharmacol. 2024. PMID: 37845792
Evaluation of the antibacterial and inhibitory activity of the MepA efflux pump of Staphylococcus aureus by riparins I, II, III, and IV.
Rodrigues Dos Santos Barbosa C, Macêdo NS, de Sousa Silveira Z, Rocha JE, Freitas TS, Muniz DF, Araújo IM, Datiane de Morais Oliveira-Tintino C, Marinho ES, Nunes da Rocha M, Marinho MM, Bezerra AH, Ribeiro de Sousa G, Barbosa-Filho JM, de Souza-Ferrari J, Melo Coutinho HD, Silva Dos Santos H, Bezerra da Cunha FA. Rodrigues Dos Santos Barbosa C, et al. Among authors: nunes da rocha m. Arch Biochem Biophys. 2023 Oct 15;748:109782. doi: 10.1016/j.abb.2023.109782. Epub 2023 Oct 13. Arch Biochem Biophys. 2023. PMID: 37839789
Synthesis, structural, characterization, antibacterial and antibiotic modifying activity, ADMET study, molecular docking and dynamics of chalcone (E)-1-(4-aminophenyl)-3-(4-nitrophenyl)prop-2-en-1-one in strains of Staphylococcus aureus carrying NorA and MepA efflux pumps.
Souza MA, Rodrigues LG, Rocha JE, de Freitas TS, Bandeira PN, Marinho MM, Nunes da Rocha M, Marinho ES, Honorato Barreto AC, Coutinho HDM, Silva LMA, Julião MSDS, Marques Canuto K, Marques da Fonseca A, Teixeira AMR, Dos Santos HS. Souza MA, et al. Among authors: nunes da rocha m. J Biomol Struct Dyn. 2024 Feb-Mar;42(4):1670-1691. doi: 10.1080/07391102.2023.2213777. Epub 2023 May 24. J Biomol Struct Dyn. 2024. PMID: 37222682
Isolation, characterization and in silico study of propenamide alkaloids from Hymenoepmecis bicolor poison against active μ-opioid receptor.
Marques da Fonseca A, Freire da Silva A, Barbosa da Silva FL, Caluaco BJ, Gaieta EM, Nunes da Rocha M, Colares RP, Sobczak JF, Marinho GS, Dos Santos HS, Marinho ES. Marques da Fonseca A, et al. Among authors: nunes da rocha m. J Biomol Struct Dyn. 2023;41(24):14621-14637. doi: 10.1080/07391102.2023.2183043. Epub 2023 Feb 23. J Biomol Struct Dyn. 2023. PMID: 36815273
Seasonal variation of the composition of essential oils from Piper cernuum Vell and Piper rivinoides Kunth, ADMET study, DFT calculations, molecular docking and dynamics studies of major components as potent inhibitors of the heterodimer methyltransferase complex NSP16-NSP10 SARS COV-2 protein.
Alves Borges Leal AL, Fonseca Bezerra C, Ferreira E Silva AK, Everson da Silva L, Bezerra LL, Almeida-Neto FW, Marinho EM, Celedonio Fernandes CF, Nunes da Rocha M, Marinho MM, Coutinho HDM, Barreto HM, Rafaela Freitas Dotto A, Amaral WD, Santos HSD, Lima-Neto P, Marinho ES. Alves Borges Leal AL, et al. Among authors: nunes da rocha m. J Biomol Struct Dyn. 2023 Aug-Sep;41(13):6326-6344. doi: 10.1080/07391102.2022.2107072. Epub 2022 Aug 9. J Biomol Struct Dyn. 2023. PMID: 35943030
Antibacterial and antibiotic modifying activity of chalcone (2E)-1-(4'-aminophenyl)-3-(4-methoxyphenyl)-prop-2-en-1-one in strains of Staphylococcus aureus carrying NorA and MepA efflux pumps: In vitro and in silico approaches.
Silva J, Esmeraldo Rocha J, da Cunha Xavier J, Sampaio de Freitas T, Douglas Melo Coutinho H, Nogueira Bandeira P, Rodrigues de Oliveira M, Nunes da Rocha M, Machado Marinho E, de Kassio Vieira Monteiro N, Ribeiro LR, Róseo Paula Pessoa Bezerra de Menezes R, Machado Marinho M, Magno Rodrigues Teixeira A, Silva Dos Santos H, Silva Marinho E. Silva J, et al. Among authors: nunes da rocha m. Microb Pathog. 2022 Aug;169:105664. doi: 10.1016/j.micpath.2022.105664. Epub 2022 Jul 5. Microb Pathog. 2022. PMID: 35803497
Quantum mechanical, molecular docking, molecular dynamics, ADMET and antiproliferative activity on Trypanosoma cruzi (Y strain) of chalcone (E)-1-(2-hydroxy-3,4,6-trimethoxyphenyl)-3-(3-nitrophenyl)prop-2-en-1-one derived from a natural product.
Geysillene Castro Matos M, da Silva LP, Wagner Queiroz Almeida-Neto F, Machado Marinho E, Róseo Paula Pessoa Bezerra de Menezes R, Lima Sampaio T, Nunes da Rocha M, Rodrigues Ribeiro L, Paula Magalhaes E, Rodrigues Teixeira AM, Dos Santos HS, Marinho ES, de Lima-Neto P, Costa Martins AM, Monteiro NKV, Machado Marinho M. Geysillene Castro Matos M, et al. Among authors: nunes da rocha m. Phys Chem Chem Phys. 2022 Feb 23;24(8):5052-5069. doi: 10.1039/d1cp04992e. Phys Chem Chem Phys. 2022. PMID: 35144275
Potentiating activity of Norfloxacin by synthetic chalcones against NorA overproducing Staphylococcus aureus.
Alves Borges Leal AL, Teixeira da Silva P, Nunes da Rocha M, Marinho EM, Marinho ES, Marinho MM, Bandeira PN, Sampaio Nogueira CE, Barreto HM, Rodrigues Teixeira AM, Silva Dos Santos H. Alves Borges Leal AL, et al. Among authors: nunes da rocha m. Microb Pathog. 2021 Jun;155:104894. doi: 10.1016/j.micpath.2021.104894. Epub 2021 Apr 21. Microb Pathog. 2021. PMID: 33894291 Review.